%chk=000205809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205809

0 1
O -0.607241 -0.015023 -2.616203
O -0.672885 -0.125317 2.181010
O 0.088380 3.740237 -0.106916
O 2.595276 0.955466 -0.440892
N 1.966428 -0.894625 0.722424
N -0.314623 1.851847 -1.375919
N -0.351548 1.786465 1.029523
C -0.947019 -0.319280 -0.231743
C -0.190288 -1.663107 -0.259364
C 1.337899 -1.546809 -0.457219
C -2.482498 -0.549310 -0.298671
C -0.594089 0.466646 -1.506244
C -0.641070 0.397461 1.087500
C 1.945884 -2.938240 -0.658601
C -3.000821 -1.480366 0.758425
C -0.158127 2.557424 -0.154240
C 2.621400 0.337002 0.611971
C -3.945436 -2.388017 0.524408
C 3.296820 0.822988 1.860056
H -0.418019 -2.222177 0.673773
H -0.605218 -2.282970 -1.085054
H 1.559503 -0.914118 -1.365778
H -2.737816 -0.932097 -1.314225
H -3.014026 0.424218 -0.210221
H 3.037947 -2.880990 -0.761419
H 1.731195 -3.620406 0.170957
H 1.566160 -3.406067 -1.575910
H 1.945633 -1.409419 1.597565
H -0.057991 2.367564 -2.236219
H -0.213388 2.284402 1.923798
H -2.559953 -1.348534 1.753202
H -4.336524 -3.040630 1.293241
H -4.406330 -2.553378 -0.438853
H 3.655079 1.856818 1.715154
H 2.633169 0.828694 2.734622
H 4.177739 0.216245 2.111859


%chk=000205809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205809

0 1
O -0.213648 -0.057175 -2.624624
O -0.434828 0.100312 2.176619
O -0.513150 3.983302 -0.352778
O 2.072908 1.047225 -0.048044
N 2.203512 -1.141856 0.689536
N -0.476998 1.934811 -1.477794
N -0.641016 2.002524 0.878945
C -0.807557 -0.215187 -0.244203
C -0.136261 -1.613653 -0.188846
C 1.397836 -1.693218 -0.426469
C -2.394791 -0.411190 -0.344909
C -0.431495 0.532949 -1.534026
C -0.567967 0.607897 1.030167
C 1.818648 -3.159103 -0.659458
C -2.982756 -1.258344 0.762519
C -0.537968 2.728236 -0.322269
C 2.513281 0.194350 0.794739
C -3.740497 -2.362738 0.548729
C 3.376054 0.600626 1.981176
H -0.383922 -2.068566 0.787171
H -0.615418 -2.230045 -0.971615
H 1.649696 -1.096809 -1.320895
H -2.602016 -0.872666 -1.328131
H -2.868954 0.591623 -0.341086
H 2.908376 -3.233575 -0.822376
H 1.546672 -3.800392 0.202030
H 1.311654 -3.563695 -1.551871
H 2.498286 -1.782899 1.428564
H -0.295937 2.440128 -2.350811
H -0.585970 2.566017 1.733211
H -2.787616 -0.926729 1.791979
H -4.175184 -2.927259 1.381132
H -3.955336 -2.730068 -0.462855
H 2.739720 1.094044 2.737931
H 3.890080 -0.251474 2.458386
H 4.126163 1.335196 1.646022


